Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2579739 | 0.79 | ALDH1A1 (0.36) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL31352036 | 0.79 | ALDH1A1 (0.36) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL20168656 | 0.77 | KEAP1 (0.37) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL8131339 | 0.77 | KEAP1 (0.37) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL11209404 | 0.76 | ALDH1A1 (0.34) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| Cyclobutoic Acid SCHEMBL2109852 | 0.76 | CHRM1 (0.46) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL10358243 | 0.76 | KEAP1 (0.36) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL10942267 | 0.74 | ALDH1A1 (0.39) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL6282896 | 0.74 | ALDH1A1 (0.36) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL933280 | 0.74 | KEAP1 (0.33) | ALDH1A1EPHX2KEAP1NFE2L2KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114894952-B | Thin-layer identification method of Shang Quanfang six Chinese herbal medicines in angelica sinensis | 国药集团广东环球制药有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-114894952-A | Thin-layer identification method for six traditional Chinese medicine ingredients of angelica Jianzhong decoction | 国药集团广东环球制药有限公司 | 2022-08-12 | — | — | CN | disclosed |
| US-5385931-A | Multistage formation of sulfonamides by reaction of esters and acyl halides, nitriding, reduction and sulfonylation to form cardiovascular compounds | PIERRE FABRE MEDICAMENT (FR) | 1995-01-31 | — | — | US | disclosed |